1-[(6R)-3-methylsulfanyl-6-(2,4,5-trimethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one

Systemtic Name: 1-[(6R)-3-methylsulfanyl-6-(2,4,5-trimethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Openeye Name: 1-[(6R)-3-methylsulfanyl-6-(2,4,5-trimethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one CAS Name: 1-[(6R)-3-(methylthio)-6-(2,4,5-trimethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-propanone IUPAC Name: 1-[(6R)-3-methylsulfanyl-6-(2,4,5-trimethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Traditional Name: 1-[(6R)-6-asaryl-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C=C4OC)OC)OC

Isomeric SMILES

CCC(=O)N1[C@H](OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C=C4OC)OC)OC

InChI

InChI=1S/C23H24N4O5S/c1-6-19(28)27-15-10-8-7-9-13(15)20-21(24-23(33-5)26-25-20)32-22(27)14-11-17(30-3)18(31-4)12-16(14)29-2/h7-12,22H,6H2,1-5H3/t22-/m1/s1